2-(4,6-dimethylquinazolin-2-ylamino)quinazolin-4-ol | 263746-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(4,6-dimethylquinazolin-2-ylamino)quinazolin-4-ol
• 英文别名: 2-[(4,6-Dimethylquinazolin-2-yl)amino]quinazolin-4-ol；2-[(4,6-dimethylquinazolin-2-yl)amino]-3H-quinazolin-4-one
• CAS: 263746-97-0
• 化学式: C₁₈H₁₅N₅O
• 分子量: 317.35
• InChiKey: COGBXCSQGWUIQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  靛红酸酐 、 2-Guanidino-4,6-dimethyl-chinazolin 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4,6-dimethylquinazolin-2-ylamino)quinazolin-4-ol
  参考文献：
  名称：

  Quinazolin-2-ylamino-quinazolin-4-ols as novel non-nucleoside inhibitors of bacterial DNA polymerase III

  摘要：

  High throughput screening led to the discovery of a novel series of quinazolin-2-ylamino-quinazolin-4-ols as a new class of DNA polymerase III inhibitors. The inhibition of chromosomal DNA replication results in bacterial cell death. The synthesis, structure-activity relationships and functional activity are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.038

文献信息

• [EN] TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS<br/>[FR] TRAITEMENT OU PROPHYLAXIE D'ÉTATS PROLIFÉRATIFS
  申请人：UNIV DUNDEE

  公开号：WO2010125350A1

  公开（公告）日：2010-11-04

  The invention relates to novel compounds for use in the treatment or prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express cytochrome P450 1B1 (CYP1B1) and allelic variants thereof. The invention also provides pharmaceutical compositions comprising one or more such compounds for use in medical therapy, for example in the treatment of prophylaxis of cancers or other proliferative conditions, as well as methods for treating cancers or other conditions in human or non-human animal patients. The invention also provides methods for identifying novel compounds for use in the treatment of prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express CYP1 B1 and allelic variants thereof. The invention also provides a method for determining the efficacy of a compound of the invention in treating cancer.

  该发明涉及用于治疗或预防癌症和其他增殖性疾病的新化合物，例如这些疾病的特征是细胞表达细胞色素P450 1B1（CYP1B1）及其等位基因变体。该发明还提供包含一种或多种此类化合物的药物组合物，用于医学治疗，例如用于治疗或预防癌症或其他增殖性疾病，以及用于治疗人类或非人类动物患者的癌症或其他疾病的方法。该发明还提供用于识别用于治疗或预防癌症和其他增殖性疾病的新化合物的方法，例如这些疾病的特征是细胞表达CYP1B1及其等位基因变体。该发明还提供一种用于确定该发明中化合物治疗癌症的疗效的方法。
• TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS
  申请人：Everett Steven Albert

  公开号：US20120190639A1

  公开（公告）日：2012-07-26

  The invention relates to novel compounds for use in the treatment or prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express cytochrome P450 1B1 (CYP1B1) and allelic variants thereof. The invention also provides pharmaceutical compositions comprising one or more such compounds for use in medical therapy, for example in the treatment of prophylaxis of cancers or other proliferative conditions, as well as methods for treating cancers or other conditions in human or non-human animal patients. The invention also provides methods for identifying novel compounds for use in the treatment of prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express CYP1 B1 and allelic variants thereof. The invention also provides a method for determining the efficacy of a compound of the invention in treating cancer.

  本发明涉及新型化合物，用于治疗或预防癌症和其他增生性疾病，例如其细胞表达细胞色素P450 1B1（CYP1B1）及其等位基因变异的疾病。本发明还提供了含有一种或多种这样的化合物的制药组合物，用于医学治疗，例如治疗癌症或其他增生性疾病的预防或治疗，以及用于治疗人类或非人类动物患者的癌症或其他疾病的方法。本发明还提供用于鉴定用于治疗或预防表达CYP1B1及其等位基因变异的细胞的癌症和其他增生性疾病的新型化合物的方法。本发明还提供了一种用于确定本发明的化合物在治疗癌症方面的功效的方法。
• Treatment or prophylaxis of proliferative conditions
  申请人：University Court of The University of Dundee

  公开号：EP2857018A1

  公开（公告）日：2015-04-08

  The invention relates to novel compounds for use in the treatment or prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express cytochrome P450 1 B1 (CYP1B1) and allelic variants thereof. The invention also provides pharmaceutical compositions comprising one or more such compounds for use in medical therapy, for example in the treatment of prophylaxis of cancers or other proliferative conditions, as well as methods for treating cancers or other conditions in human or non-human animal patients. The invention also provides methods for identifying novel compounds for use in the treatment of prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express CYP1 B1 and allelic variants thereof. The invention also provides a method for determining the efficacy of a compound of the invention in treating cancer.

  本发明涉及用于治疗或预防癌症和其他增殖性疾病的新型化合物，这些癌症和其他增殖性疾病的特征是细胞表达细胞色素P450 1 B1（CYP1B1）及其等位变体。本发明还提供了包含一种或多种此类化合物的药物组合物，用于医学治疗，例如用于治疗预防癌症或其他增殖性病症，以及用于治疗人类或非人类动物患者的癌症或其他病症的方法。本发明还提供了鉴定新型化合物的方法，这些化合物可用于治疗例如以表达 CYP1 B1 及其等位基因变体的细胞为特征的癌症和其他增殖性疾病的预防。本发明还提供了一种确定本发明化合物治疗癌症疗效的方法。
• Heterocyclization of quinazol-2-ylguanidines. 1. Reaction with amino acids
  作者：Kh. S. Shikhaliev、A. V. Falaleev、G. I. Ermolova、A. S. Solovev

  DOI：10.1007/bf02252107

  日期：1999.7
• Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates
  申请人：Surolia Avadhesha

  公开号：US20100190832A1

  公开（公告）日：2010-07-29

  Transthyretin (TTR), a tetrameric thyroxine (T4) carrier protein, is associated with a variety of amyloid diseases. Derivative of biphenyl ethers (BPE), which are shown to interact with a high affinity to its T4 binding site thereby preventing its aggregation and fibrillogenesis. They prevent fibrillogenesis by stabilizing the tetrameric ground state of transthyretin. Two compounds (2-(5-mercapto-[1,3,4]oxadiazol-2-yl)-phenol and 2,3,6-trichloro-N-(4H-[1,2,4]triazol-3-yl) exhibit the ability to arrest TTR amyloidosis. The dissociation constants for the binding of BPEs and compound 11 and 12 to TTR correlate with their efficacies of inhibiting amyloidosis. They also have the ability to inhibit the elongation of intermediate fibrils as well as show nearly complete (>90%) disruption of the preformed fibrils. Biphenyl ethers and compounds 11 and 12 as very potent inhibitors of TTR fibrillization and inducible cytotoxicity.